N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

C21H24Cl2N2O3S — CID 3428690

IUPACN-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)Nc3c(Cl)cccc3Cl)C2)c(C)c1
InChIInChI=1S/C21H24Cl2N2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-9-5-6-16(12-25)21(26)24-19-17(22)7-4-8-18(19)23/h4,7-8,10-11,16H,5-6,9,12H2,1-3H3,(H,24,26)
InChIKeyHKTJUHZFHQOWJF-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.96
Rot. Bonds4

About N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3428690) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3428690
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC NameN-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)Nc3c(Cl)cccc3Cl)C2)c(C)c1
InChIInChI=1S/C21H24Cl2N2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-9-5-6-16(12-25)21(26)24-19-17(22)7-4-8-18(19)23/h4,7-8,10-11,16H,5-6,9,12H2,1-3H3,(H,24,26)
InChIKeyHKTJUHZFHQOWJF-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 26687885
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3214784

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 3428690) is N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)Nc3c(Cl)cccc3Cl)C2)c(C)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HKTJUHZFHQOWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-13-10-14(2)20(15(3)11-13)29(27,28)25-9-5-6-16(12-25)21(26)24-19-17(22)7-4-8-18(19)23/h4,7-8,10-11,16H,5-6,9,12H2,1-3H3,(H,24,26).
What are the key properties of N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3428690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).